N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine

C12H27N3 — CID 65077334

IUPACN'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
SMILESCCCN1CCCC(N(C)CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-8-15-9-4-5-12(6-10-15)14(2)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyQSEGWHZAMFGZCD-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine

N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine (PubChem CID 65077334) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
PubChem CID65077334
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
SMILESCCCN1CCCC(N(C)CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-8-15-9-4-5-12(6-10-15)14(2)11-7-13/h12H,3-11,13H2,1-2H3
InChIKeyQSEGWHZAMFGZCD-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
CID 146215533
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
2-methyl-2-[methyl-(1-propylazepan-4-yl)amino]propanoic acid
CID 65077247
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
N'-(1-cyclohexylpiperidin-3-yl)-N'-methylethane-1,2-diamine
CID 117004717
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-methyl-1-propylazepan-4-amine
CID 65072873
N'-ethyl-N,N-dimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
CID 2846519
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine (CID 65077334) is N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine is CCCN1CCCC(N(C)CCN)CC1.
What is the InChIKey of N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine?
The InChIKey is QSEGWHZAMFGZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-8-15-9-4-5-12(6-10-15)14(2)11-7-13/h12H,3-11,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine?
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65077334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).