4-cyclopropyl-N-propylbutan-1-amine

C10H21N — CID 57222613

IUPAC4-cyclopropyl-N-propylbutan-1-amine
SMILESCCCNCCCCC1CC1
InChIInChI=1S/C10H21N/c1-2-8-11-9-4-3-5-10-6-7-10/h10-11H,2-9H2,1H3
InChIKeyNTGSYQQUMYLHCJ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds7

About 4-cyclopropyl-N-propylbutan-1-amine

4-cyclopropyl-N-propylbutan-1-amine (PubChem CID 57222613) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-cyclopropyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-propylbutan-1-amine
PubChem CID57222613
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-cyclopropyl-N-propylbutan-1-amine
SMILESCCCNCCCCC1CC1
InChIInChI=1S/C10H21N/c1-2-8-11-9-4-3-5-10-6-7-10/h10-11H,2-9H2,1H3
InChIKeyNTGSYQQUMYLHCJ-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
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'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N'-[3-(6-cyclopropylhexylamino)propyl]-N-ethylpropane-1,3-diamine
CID 158860052
hexane;pentylcyclopropane
CID 159592467
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
azane;hexylcyclopropane
CID 135322230
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-propylbutan-1-amine?
The IUPAC name of 4-cyclopropyl-N-propylbutan-1-amine (CID 57222613) is 4-cyclopropyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-cyclopropyl-N-propylbutan-1-amine?
The canonical SMILES for 4-cyclopropyl-N-propylbutan-1-amine is CCCNCCCCC1CC1.
What is the InChIKey of 4-cyclopropyl-N-propylbutan-1-amine?
The InChIKey is NTGSYQQUMYLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-8-11-9-4-3-5-10-6-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-N-propylbutan-1-amine?
4-cyclopropyl-N-propylbutan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-propylbutan-1-amine is sourced from PubChem (CID 57222613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).