N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine

C11H23NO — CID 115688384

IUPACN-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCCC1CC1
InChIInChI=1S/C11H23NO/c1-10(7-9-13-2)12-8-3-4-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyQLTNYQKHDHBGCU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds8

About N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine

N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine (PubChem CID 115688384) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
PubChem CID115688384
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCCCC1CC1
InChIInChI=1S/C11H23NO/c1-10(7-9-13-2)12-8-3-4-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyQLTNYQKHDHBGCU-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894882
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine (CID 115688384) is N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine is COCCC(C)NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine?
The InChIKey is QLTNYQKHDHBGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(7-9-13-2)12-8-3-4-11-5-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine?
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 115688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).