N,2,7,8,8-pentamethylnon-1-en-5-amine

C14H29N — CID 105039716

IUPACN,2,7,8,8-pentamethylnon-1-en-5-amine
SMILESC=C(C)CCC(CC(C)C(C)(C)C)NC
InChIInChI=1S/C14H29N/c1-11(2)8-9-13(15-7)10-12(3)14(4,5)6/h12-13,15H,1,8-10H2,2-7H3
InChIKeyQOERJWMVHVCQMM-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.00
Rot. Bonds6

About N,2,7,8,8-pentamethylnon-1-en-5-amine

N,2,7,8,8-pentamethylnon-1-en-5-amine (PubChem CID 105039716) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,2,7,8,8-pentamethylnon-1-en-5-amine.

Molecular Properties

Compound NameN,2,7,8,8-pentamethylnon-1-en-5-amine
PubChem CID105039716
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,2,7,8,8-pentamethylnon-1-en-5-amine
SMILESC=C(C)CCC(CC(C)C(C)(C)C)NC
InChIInChI=1S/C14H29N/c1-11(2)8-9-13(15-7)10-12(3)14(4,5)6/h12-13,15H,1,8-10H2,2-7H3
InChIKeyQOERJWMVHVCQMM-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.00
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

1-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
3,3,7-trimethyloct-7-en-4-ylhydrazine
CID 105336008
2,8-dimethylnon-1-en-5-ylhydrazine
CID 105207539
3-bromo-2,5,6,6-tetramethylhept-1-ene
CID 146352481
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
CID 105182482

Frequently Asked Questions

What is the IUPAC name of N,2,7,8,8-pentamethylnon-1-en-5-amine?
The IUPAC name of N,2,7,8,8-pentamethylnon-1-en-5-amine (CID 105039716) is N,2,7,8,8-pentamethylnon-1-en-5-amine.
What is the SMILES notation for N,2,7,8,8-pentamethylnon-1-en-5-amine?
The canonical SMILES for N,2,7,8,8-pentamethylnon-1-en-5-amine is C=C(C)CCC(CC(C)C(C)(C)C)NC.
What is the InChIKey of N,2,7,8,8-pentamethylnon-1-en-5-amine?
The InChIKey is QOERJWMVHVCQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)8-9-13(15-7)10-12(3)14(4,5)6/h12-13,15H,1,8-10H2,2-7H3.
What are the key properties of N,2,7,8,8-pentamethylnon-1-en-5-amine?
N,2,7,8,8-pentamethylnon-1-en-5-amine has a molecular weight of 211.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7,8,8-pentamethylnon-1-en-5-amine is sourced from PubChem (CID 105039716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).