3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide

C14H29N3O — CID 63318608

IUPAC3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCN(C)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)16-14(18)8-9-15-10-11-17(3)13-6-4-5-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyMSOOMQVYOCLSLE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds8

About 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide

3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide (PubChem CID 63318608) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
PubChem CID63318608
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCN(C)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)16-14(18)8-9-15-10-11-17(3)13-6-4-5-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyMSOOMQVYOCLSLE-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
(2S,3R)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966266
2-[(4-hydroxycyclohexyl)-methylamino]-N-propan-2-ylacetamide
CID 114762510
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588
3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
CID 102636283
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide (CID 63318608) is 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCN(C)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is MSOOMQVYOCLSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)16-14(18)8-9-15-10-11-17(3)13-6-4-5-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide?
3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63318608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).