(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine

C14H29N — CID 137429083

IUPAC(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine
SMILESCN[C@@H](/C=C\C(C)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-11(2)12(3)8-9-13(15-7)10-14(4,5)6/h8-9,11-13,15H,10H2,1-7H3/b9-8-/t12?,13-/m0/s1
InChIKeyIURYVXXKSVWLLE-COUHGGSKSA-N
MW211.39 g/mol
LogP3.86
Rot. Bonds5

About (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine

(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine (PubChem CID 137429083) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine.

Molecular Properties

Compound Name(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine
PubChem CID137429083
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine
SMILESCN[C@@H](/C=C\C(C)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-11(2)12(3)8-9-13(15-7)10-14(4,5)6/h8-9,11-13,15H,10H2,1-7H3/b9-8-/t12?,13-/m0/s1
InChIKeyIURYVXXKSVWLLE-COUHGGSKSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.86
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

(Z)-6,9,9-trimethyl-7-propan-2-yldec-4-en-3-ol
CID 88580600
sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
CID 161290387
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
4,6,6-trimethylhept-2-ene
CID 91083549
(1-Tert-butyl-3,3-dimethylbutyl)borane
CID 24972798
(E,3R,6S)-2,3,6,7-tetramethyloct-4-ene;(E,3S,6S)-2,3,6,7-tetramethyloct-4-en-2-ol;(E,3R,6S)-2,3,6,7-tetramethyloct-4-en-2-ol;(3R)-2,3,7-trimethyloctane;(6R)-2,6,7-trimethyloctan-2-ol
CID 158462965
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
N-tert-butyl-4,4-dimethylpentan-2-amine
CID 123997936
(Z)-N-methylhex-4-en-3-amine
CID 143219516
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
CID 162040885

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine?
The IUPAC name of (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine (CID 137429083) is (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine.
What is the SMILES notation for (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine?
The canonical SMILES for (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine is CN[C@@H](/C=C\C(C)C(C)C)CC(C)(C)C.
What is the InChIKey of (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine?
The InChIKey is IURYVXXKSVWLLE-COUHGGSKSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)12(3)8-9-13(15-7)10-14(4,5)6/h8-9,11-13,15H,10H2,1-7H3/b9-8-/t12?,13-/m0/s1.
What are the key properties of (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine?
(Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine has a molecular weight of 211.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-N,2,2,7,8-pentamethylnon-5-en-4-amine is sourced from PubChem (CID 137429083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).