N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine

C13H26N2 — CID 103069214

IUPACN-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(CC)C(C)CC
InChIInChI=1S/C13H26N2/c1-5-12(4)15(6-2)10-11(3)9-14-13-7-8-13/h12-14H,3,5-10H2,1-2,4H3
InChIKeyWCYHBNFMBXZWDW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds8

About N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine

N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069214) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
PubChem CID103069214
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(CC)C(C)CC
InChIInChI=1S/C13H26N2/c1-5-12(4)15(6-2)10-11(3)9-14-13-7-8-13/h12-14H,3,5-10H2,1-2,4H3
InChIKeyWCYHBNFMBXZWDW-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
CID 103070042
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
N-cyclopropyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
CID 103069901
N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 103069890
3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile
CID 103070162
N-cyclopropyl-N'-methyl-N'-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diamine
CID 103070072
N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 103070924
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine (CID 103069214) is N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine is C=C(CNC1CC1)CN(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine?
The InChIKey is WCYHBNFMBXZWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-12(4)15(6-2)10-11(3)9-14-13-7-8-13/h12-14H,3,5-10H2,1-2,4H3.
What are the key properties of N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine?
N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).