N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide

C18H30N4 — CID 162108259

IUPACN-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
SMILESC/C(=N\Cc1ccc(C/N=C(\C)NC(C)C)cc1)NC(C)C
InChIInChI=1S/C18H30N4/c1-13(2)21-15(5)19-11-17-7-9-18(10-8-17)12-20-16(6)22-14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyBAARKCKYAQMCJV-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.52
Rot. Bonds6

About N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide

N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide (PubChem CID 162108259) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
PubChem CID162108259
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
SMILESC/C(=N\Cc1ccc(C/N=C(\C)NC(C)C)cc1)NC(C)C
InChIInChI=1S/C18H30N4/c1-13(2)21-15(5)19-11-17-7-9-18(10-8-17)12-20-16(6)22-14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyBAARKCKYAQMCJV-UHFFFAOYSA-N
XLogP3.52
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-N'-[[3-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 159070681
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111124392
2-[(4-cyanophenyl)methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111125966
1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol
CID 132942621
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111076076
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
N'-[(4-chlorophenyl)methyl]-N-cyanoethanimidamide
CID 20803122
N'-[(4-bromophenyl)methyl]-N-cyanoethanimidamide
CID 119088896
N-ethyl-4-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111124820
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide?
The IUPAC name of N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide (CID 162108259) is N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide.
What is the SMILES notation for N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide?
The canonical SMILES for N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide is C/C(=N\Cc1ccc(C/N=C(\C)NC(C)C)cc1)NC(C)C.
What is the InChIKey of N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide?
The InChIKey is BAARKCKYAQMCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-13(2)21-15(5)19-11-17-7-9-18(10-8-17)12-20-16(6)22-14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide?
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide has a molecular weight of 302.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide is sourced from PubChem (CID 162108259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).