2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide

C11H23N3O — CID 82767781

IUPAC2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCN)CCCC1N
InChIInChI=1S/C11H23N3O/c1-11(6-4-5-9(11)13)10(15)14-8-3-2-7-12/h9H,2-8,12-13H2,1H3,(H,14,15)
InChIKeyMZZPQPQDXWCJMT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.36
Rot. Bonds5

About 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82767781) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82767781
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCN)CCCC1N
InChIInChI=1S/C11H23N3O/c1-11(6-4-5-9(11)13)10(15)14-8-3-2-7-12/h9H,2-8,12-13H2,1H3,(H,14,15)
InChIKeyMZZPQPQDXWCJMT-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
CID 82768534
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
N-(1-adamantylmethyl)-2-amino-1-methylcyclopentane-1-carboxamide
CID 82758318
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
2-amino-1-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 130645619
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide (CID 82767781) is 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCCCCN)CCCC1N.
What is the InChIKey of 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is MZZPQPQDXWCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(6-4-5-9(11)13)10(15)14-8-3-2-7-12/h9H,2-8,12-13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).