2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide

C13H26N2O2 — CID 43515321

IUPAC2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)12(14)13(16)15-7-4-8-17-9-11-5-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyLNQKLRPEIWQPCD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds9

About 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide

2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide (PubChem CID 43515321) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
PubChem CID43515321
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)12(14)13(16)15-7-4-8-17-9-11-5-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyLNQKLRPEIWQPCD-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
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

(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide (CID 43515321) is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCCCOCC1CC1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide?
The InChIKey is LNQKLRPEIWQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-10(2)12(14)13(16)15-7-4-8-17-9-11-5-6-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide?
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide is sourced from PubChem (CID 43515321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).