4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine

C16H35N3O — CID 103389461

IUPAC4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H35N3O/c1-14-7-5-9-16(11-14,19(2)3)13-18-15(12-20-4)8-6-10-17/h14-15,18H,5-13,17H2,1-4H3
InChIKeySCJPDNMZLZQSFI-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.84
Rot. Bonds9

About 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine

4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine (PubChem CID 103389461) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
PubChem CID103389461
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H35N3O/c1-14-7-5-9-16(11-14,19(2)3)13-18-15(12-20-4)8-6-10-17/h14-15,18H,5-13,17H2,1-4H3
InChIKeySCJPDNMZLZQSFI-UHFFFAOYSA-N
XLogP1.84
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
CID 54957909
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111077192
N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
CID 61210795

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine (CID 103389461) is 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine?
The InChIKey is SCJPDNMZLZQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14-7-5-9-16(11-14,19(2)3)13-18-15(12-20-4)8-6-10-17/h14-15,18H,5-13,17H2,1-4H3.
What are the key properties of 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine?
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).