N,2,6-trimethylhept-6-en-1-amine

C10H21N — CID 114477309

IUPACN,2,6-trimethylhept-6-en-1-amine
SMILESC=C(C)CCCC(C)CNC
InChIInChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h10-11H,1,5-8H2,2-4H3
InChIKeyUSRAUCDEFCJJLB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds6

About N,2,6-trimethylhept-6-en-1-amine

N,2,6-trimethylhept-6-en-1-amine (PubChem CID 114477309) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,6-trimethylhept-6-en-1-amine.

Molecular Properties

Compound NameN,2,6-trimethylhept-6-en-1-amine
PubChem CID114477309
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2,6-trimethylhept-6-en-1-amine
SMILESC=C(C)CCCC(C)CNC
InChIInChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h10-11H,1,5-8H2,2-4H3
InChIKeyUSRAUCDEFCJJLB-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2,6-dimethylhept-1-ene
CID 114477377
7-iodo-2,6-dimethylhept-1-ene
CID 138692615
2,7-dimethylnon-1-ene
CID 123682074
N,N',2-trimethylpentane-1,5-diamine
CID 18952778
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
2,11-dimethylnonadec-1-ene
CID 123484198
N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
CID 114470646
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethylhept-6-en-1-amine?
The IUPAC name of N,2,6-trimethylhept-6-en-1-amine (CID 114477309) is N,2,6-trimethylhept-6-en-1-amine.
What is the SMILES notation for N,2,6-trimethylhept-6-en-1-amine?
The canonical SMILES for N,2,6-trimethylhept-6-en-1-amine is C=C(C)CCCC(C)CNC.
What is the InChIKey of N,2,6-trimethylhept-6-en-1-amine?
The InChIKey is USRAUCDEFCJJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h10-11H,1,5-8H2,2-4H3.
What are the key properties of N,2,6-trimethylhept-6-en-1-amine?
N,2,6-trimethylhept-6-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylhept-6-en-1-amine is sourced from PubChem (CID 114477309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).