N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine

C17H33N — CID 145101087

IUPACN-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine
SMILESC=C(C)CCCCCN(C(=C)CCC)C(C)CC
InChIInChI=1S/C17H33N/c1-7-12-17(6)18(16(5)8-2)14-11-9-10-13-15(3)4/h16H,3,6-14H2,1-2,4-5H3
InChIKeyDQDZUQCVRLNOMT-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.54
Rot. Bonds11

About N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine

N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine (PubChem CID 145101087) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine
PubChem CID145101087
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine
SMILESC=C(C)CCCCCN(C(=C)CCC)C(C)CC
InChIInChI=1S/C17H33N/c1-7-12-17(6)18(16(5)8-2)14-11-9-10-13-15(3)4/h16H,3,6-14H2,1-2,4-5H3
InChIKeyDQDZUQCVRLNOMT-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.54
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

8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
CID 167036786
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
2-methyltetradec-1-ene
CID 521375
2,14-dimethylpentadeca-1,14-diene
CID 123962057
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
ethane;2-methyloct-1-ene
CID 143077596
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
2,7-dimethylnon-1-ene
CID 123682074
2,11-dimethylnonadec-1-ene
CID 123484198
2,10,11-trimethylicos-1-ene
CID 123857380
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine?
The IUPAC name of N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine (CID 145101087) is N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine.
What is the SMILES notation for N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine?
The canonical SMILES for N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine is C=C(C)CCCCCN(C(=C)CCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine?
The InChIKey is DQDZUQCVRLNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-7-12-17(6)18(16(5)8-2)14-11-9-10-13-15(3)4/h16H,3,6-14H2,1-2,4-5H3.
What are the key properties of N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine?
N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-N-pent-1-en-2-ylhept-6-en-1-amine is sourced from PubChem (CID 145101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).