N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine

C15H29N — CID 145373050

IUPACN-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
SMILESC=CCCCC(=C)N(CCC)CCC(C)C
InChIInChI=1S/C15H29N/c1-6-8-9-10-15(5)16(12-7-2)13-11-14(3)4/h6,14H,1,5,7-13H2,2-4H3
InChIKeyWHVNWIVTGMBWDZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.61
Rot. Bonds10

About N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine

N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine (PubChem CID 145373050) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
PubChem CID145373050
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
SMILESC=CCCCC(=C)N(CCC)CCC(C)C
InChIInChI=1S/C15H29N/c1-6-8-9-10-15(5)16(12-7-2)13-11-14(3)4/h6,14H,1,5,7-13H2,2-4H3
InChIKeyWHVNWIVTGMBWDZ-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.61
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

25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
(6E)-6-ethylidenedec-1-ene
CID 173031906
N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
CID 143366441
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711
hex-1-ene;2-methylbut-1-ene
CID 172686626
6-(3-methylbutoxy)octa-1,6-diene
CID 87447746
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
2-[butyl(pent-4-enyl)amino]-1-(dimethylamino)ethanol
CID 88885841
(7Z)-9-ethyl-6-methylidenedodeca-1,7-diene
CID 155779414
N-methyl-N-propylpent-4-en-1-amine
CID 91551262

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine?
The IUPAC name of N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine (CID 145373050) is N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine?
The canonical SMILES for N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine is C=CCCCC(=C)N(CCC)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine?
The InChIKey is WHVNWIVTGMBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-8-9-10-15(5)16(12-7-2)13-11-14(3)4/h6,14H,1,5,7-13H2,2-4H3.
What are the key properties of N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine?
N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine is sourced from PubChem (CID 145373050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).