N,2-dipropylpentan-1-amine

C11H25N — CID 62530512

IUPACN,2-dipropylpentan-1-amine
SMILESCCCNCC(CCC)CCC
InChIInChI=1S/C11H25N/c1-4-7-11(8-5-2)10-12-9-6-3/h11-12H,4-10H2,1-3H3
InChIKeyRWSLQCWRXFUPBM-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds8

About N,2-dipropylpentan-1-amine

N,2-dipropylpentan-1-amine (PubChem CID 62530512) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,2-dipropylpentan-1-amine.

Molecular Properties

Compound NameN,2-dipropylpentan-1-amine
PubChem CID62530512
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,2-dipropylpentan-1-amine
SMILESCCCNCC(CCC)CCC
InChIInChI=1S/C11H25N/c1-4-7-11(8-5-2)10-12-9-6-3/h11-12H,4-10H2,1-3H3
InChIKeyRWSLQCWRXFUPBM-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
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

5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
N,2-dipropyloctan-1-amine
CID 63497286
4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
ethane;N-ethyl-2-propylpentan-1-amine;pentane
CID 143708977
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
2-methyl-N-propylpropan-1-amine
CID 520943
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760

Frequently Asked Questions

What is the IUPAC name of N,2-dipropylpentan-1-amine?
The IUPAC name of N,2-dipropylpentan-1-amine (CID 62530512) is N,2-dipropylpentan-1-amine.
What is the SMILES notation for N,2-dipropylpentan-1-amine?
The canonical SMILES for N,2-dipropylpentan-1-amine is CCCNCC(CCC)CCC.
What is the InChIKey of N,2-dipropylpentan-1-amine?
The InChIKey is RWSLQCWRXFUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-7-11(8-5-2)10-12-9-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N,2-dipropylpentan-1-amine?
N,2-dipropylpentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropylpentan-1-amine is sourced from PubChem (CID 62530512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).