N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine

C11H25N3 — CID 61386658

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCCN(C)CC1
InChIInChI=1S/C11H25N3/c1-3-5-12-6-9-14-8-4-7-13(2)10-11-14/h12H,3-11H2,1-2H3
InChIKeyRFNSVFVWUCNTSL-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds5

About N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine

N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine (PubChem CID 61386658) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
PubChem CID61386658
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCCN(C)CC1
InChIInChI=1S/C11H25N3/c1-3-5-12-6-9-14-8-4-7-13(2)10-11-14/h12H,3-11H2,1-2H3
InChIKeyRFNSVFVWUCNTSL-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
1,4-dimethyl-8,11-dipropyl-1,4,8,11-tetrazacyclotetradecane;nickel(2+);diperchlorate
CID 15774197
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine (CID 61386658) is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine is CCCNCCN1CCCN(C)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine?
The InChIKey is RFNSVFVWUCNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-12-6-9-14-8-4-7-13(2)10-11-14/h12H,3-11H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine?
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61386658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).