2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine

C14H31N3 — CID 65073378

IUPAC2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
SMILESCCCN1CCCC(NCC(C)N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-9-17-10-6-7-14(8-11-17)15-12-13(2)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNUMUMKVJWKXXHF-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine (PubChem CID 65073378) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
PubChem CID65073378
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
SMILESCCCN1CCCC(NCC(C)N(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-9-17-10-6-7-14(8-11-17)15-12-13(2)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNUMUMKVJWKXXHF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
N-methyl-1-propylazepan-4-amine
CID 65072873
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
CID 115901563
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
N-methyl-N-propan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695690
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine (CID 65073378) is 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine is CCCN1CCCC(NCC(C)N(C)C)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine?
The InChIKey is NUMUMKVJWKXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-9-17-10-6-7-14(8-11-17)15-12-13(2)16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine is sourced from PubChem (CID 65073378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).