N-(2-cyclopropylpropyl)-3-methylbutan-1-amine

C11H23N — CID 115592627

IUPACN-(2-cyclopropylpropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)C1CC1
InChIInChI=1S/C11H23N/c1-9(2)6-7-12-8-10(3)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyNLFRXZPBGWVDPD-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds6

About N-(2-cyclopropylpropyl)-3-methylbutan-1-amine

N-(2-cyclopropylpropyl)-3-methylbutan-1-amine (PubChem CID 115592627) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-methylbutan-1-amine
PubChem CID115592627
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2-cyclopropylpropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)C1CC1
InChIInChI=1S/C11H23N/c1-9(2)6-7-12-8-10(3)11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyNLFRXZPBGWVDPD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115592628
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
N-(2-cyclobutyloxypropyl)-3-methylbutan-1-amine
CID 62583080
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613
N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-methylbutan-1-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-3-methylbutan-1-amine (CID 115592627) is N-(2-cyclopropylpropyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-methylbutan-1-amine is CC(C)CCNCC(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-methylbutan-1-amine?
The InChIKey is NLFRXZPBGWVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)6-7-12-8-10(3)11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropyl)-3-methylbutan-1-amine?
N-(2-cyclopropylpropyl)-3-methylbutan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115592627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).