N,2,5-trimethylhept-2-en-3-amine

C10H21N — CID 177136361

IUPACN,2,5-trimethylhept-2-en-3-amine
SMILESCCC(C)CC(NC)=C(C)C
InChIInChI=1S/C10H21N/c1-6-9(4)7-10(11-5)8(2)3/h9,11H,6-7H2,1-5H3
InChIKeyDQMMKVWBWSUIER-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.94
Rot. Bonds4

About N,2,5-trimethylhept-2-en-3-amine

N,2,5-trimethylhept-2-en-3-amine (PubChem CID 177136361) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,5-trimethylhept-2-en-3-amine.

Molecular Properties

Compound NameN,2,5-trimethylhept-2-en-3-amine
PubChem CID177136361
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2,5-trimethylhept-2-en-3-amine
SMILESCCC(C)CC(NC)=C(C)C
InChIInChI=1S/C10H21N/c1-6-9(4)7-10(11-5)8(2)3/h9,11H,6-7H2,1-5H3
InChIKeyDQMMKVWBWSUIER-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(iodomethyl)-N,2-dimethylhept-2-en-3-amine
CID 174285327
ethane;3-methylhexane;N-methylprop-1-en-2-amine
CID 143357594
(E)-4,6-dimethyloct-3-en-2-ol
CID 87272848
4,6-dimethyloct-3-en-2-ol
CID 91470833
(E)-2,4-dimethylhex-1-ene-1-thiol;methoxyethane;methoxymethane;N-methylacetamide
CID 158352788
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
2-chloro-4-methylhex-1-ene
CID 15153636
3-methylpentanethioamide
CID 54078997
(5R)-5-methylheptan-3-one
CID 6566014
(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
CID 174193484
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethylhept-2-en-3-amine?
The IUPAC name of N,2,5-trimethylhept-2-en-3-amine (CID 177136361) is N,2,5-trimethylhept-2-en-3-amine.
What is the SMILES notation for N,2,5-trimethylhept-2-en-3-amine?
The canonical SMILES for N,2,5-trimethylhept-2-en-3-amine is CCC(C)CC(NC)=C(C)C.
What is the InChIKey of N,2,5-trimethylhept-2-en-3-amine?
The InChIKey is DQMMKVWBWSUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-9(4)7-10(11-5)8(2)3/h9,11H,6-7H2,1-5H3.
What are the key properties of N,2,5-trimethylhept-2-en-3-amine?
N,2,5-trimethylhept-2-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethylhept-2-en-3-amine is sourced from PubChem (CID 177136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).