N-propan-2-yl-N-propylhex-5-en-1-amine

C12H25N — CID 174192838

IUPACN-propan-2-yl-N-propylhex-5-en-1-amine
SMILESC=CCCCCN(CCC)C(C)C
InChIInChI=1S/C12H25N/c1-5-7-8-9-11-13(10-6-2)12(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyYCYNBFMIROQFRL-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds8

About N-propan-2-yl-N-propylhex-5-en-1-amine

N-propan-2-yl-N-propylhex-5-en-1-amine (PubChem CID 174192838) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-propan-2-yl-N-propylhex-5-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propylhex-5-en-1-amine
PubChem CID174192838
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-propan-2-yl-N-propylhex-5-en-1-amine
SMILESC=CCCCCN(CCC)C(C)C
InChIInChI=1S/C12H25N/c1-5-7-8-9-11-13(10-6-2)12(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyYCYNBFMIROQFRL-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N,N-dibutylhept-6-en-1-amine
CID 126749828
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
sodium 2-[bis(oct-7-enyl)amino]propanoate
CID 101313401
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
CID 82854057
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propylhex-5-en-1-amine?
The IUPAC name of N-propan-2-yl-N-propylhex-5-en-1-amine (CID 174192838) is N-propan-2-yl-N-propylhex-5-en-1-amine.
What is the SMILES notation for N-propan-2-yl-N-propylhex-5-en-1-amine?
The canonical SMILES for N-propan-2-yl-N-propylhex-5-en-1-amine is C=CCCCCN(CCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propylhex-5-en-1-amine?
The InChIKey is YCYNBFMIROQFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-8-9-11-13(10-6-2)12(3)4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of N-propan-2-yl-N-propylhex-5-en-1-amine?
N-propan-2-yl-N-propylhex-5-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylhex-5-en-1-amine is sourced from PubChem (CID 174192838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).