2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine

C11H25N3 — CID 43209332

IUPAC2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
SMILESCCCC(CN)N1CCCN(C)CC1
InChIInChI=1S/C11H25N3/c1-3-5-11(10-12)14-7-4-6-13(2)8-9-14/h11H,3-10,12H2,1-2H3
InChIKeyJDSRVOUMQFMBFO-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds4

About 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine

2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine (PubChem CID 43209332) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
PubChem CID43209332
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
SMILESCCCC(CN)N1CCCN(C)CC1
InChIInChI=1S/C11H25N3/c1-3-5-11(10-12)14-7-4-6-13(2)8-9-14/h11H,3-10,12H2,1-2H3
InChIKeyJDSRVOUMQFMBFO-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230
4,4-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62950781
2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
CID 63341361
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
CID 55202942
2-(azocan-1-yl)nonan-1-amine
CID 43130470
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 70961776
1-[(4R)-octan-4-yl]azetidine
CID 170061956
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine (CID 43209332) is 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine is CCCC(CN)N1CCCN(C)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The InChIKey is JDSRVOUMQFMBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-11(10-12)14-7-4-6-13(2)8-9-14/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine is sourced from PubChem (CID 43209332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).