N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide

C13H28N4 — CID 118973327

IUPACN'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide
SMILESC/C(=C\N[C@@H](C)C[C@H](C)N(C)C)C(C)/N=C/N
InChIInChI=1S/C13H28N4/c1-10(13(4)16-9-14)8-15-11(2)7-12(3)17(5)6/h8-9,11-13,15H,7H2,1-6H3,(H2,14,16)/b10-8+/t11-,12-,13?/m0/s1
InChIKeyLDDNSUXWDZYFAX-QDKXAPAMSA-N
MW240.39 g/mol
LogP1.58
Rot. Bonds7

About N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide

N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide (PubChem CID 118973327) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide
PubChem CID118973327
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide
SMILESC/C(=C\N[C@@H](C)C[C@H](C)N(C)C)C(C)/N=C/N
InChIInChI=1S/C13H28N4/c1-10(13(4)16-9-14)8-15-11(2)7-12(3)17(5)6/h8-9,11-13,15H,7H2,1-6H3,(H2,14,16)/b10-8+/t11-,12-,13?/m0/s1
InChIKeyLDDNSUXWDZYFAX-QDKXAPAMSA-N
XLogP1.58
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide?
The IUPAC name of N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide (CID 118973327) is N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide is C/C(=C\N[C@@H](C)C[C@H](C)N(C)C)C(C)/N=C/N.
What is the InChIKey of N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide?
The InChIKey is LDDNSUXWDZYFAX-QDKXAPAMSA-N. The full InChI is InChI=1S/C13H28N4/c1-10(13(4)16-9-14)8-15-11(2)7-12(3)17(5)6/h8-9,11-13,15H,7H2,1-6H3,(H2,14,16)/b10-8+/t11-,12-,13?/m0/s1.
What are the key properties of N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide?
N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide has a molecular weight of 240.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide is sourced from PubChem (CID 118973327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).