(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine

C15H29N — CID 163853448

IUPAC(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine
SMILESC=CC(C)(/C=C\[C@H](CCC)N(C)C)C(C)C
InChIInChI=1S/C15H29N/c1-8-10-14(16(6)7)11-12-15(5,9-2)13(3)4/h9,11-14H,2,8,10H2,1,3-7H3/b12-11-/t14-,15?/m0/s1
InChIKeyOWHWZNURVYDXBB-VNORQREZSA-N
MW223.40 g/mol
LogP4.12
Rot. Bonds7

About (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine

(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine (PubChem CID 163853448) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine.

Molecular Properties

Compound Name(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine
PubChem CID163853448
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine
SMILESC=CC(C)(/C=C\[C@H](CCC)N(C)C)C(C)C
InChIInChI=1S/C15H29N/c1-8-10-14(16(6)7)11-12-15(5,9-2)13(3)4/h9,11-14H,2,8,10H2,1,3-7H3/b12-11-/t14-,15?/m0/s1
InChIKeyOWHWZNURVYDXBB-VNORQREZSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine with MolForge

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Related Compounds

(E,3S)-5,7-difluoro-N,N,2,2,3-pentamethyloct-5-en-4-amine
CID 144060406
N,N,2,3-tetramethylhex-4-en-1-amine
CID 170847796
2-Tert-butyl-1-methyl-2,5-dihydropyrrole
CID 57595352
(Z)-N,7-dimethyl-N-propan-2-yloct-4-en-1-amine
CID 57689223
1,2,3-Trimethyl-2,3,4,7-tetrahydroazepine
CID 58293715
1,3-Di(propan-2-yl)-2,3,6,7-tetrahydroazepine
CID 59559365
1,3-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559425
1,3-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 59559448
1,7-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559457
1,2-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559540
1,4-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559547
2,5-Ditert-butyl-1-propan-2-yl-2,5-dihydropyrrole
CID 59616715

Frequently Asked Questions

What is the IUPAC name of (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine?
The IUPAC name of (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine (CID 163853448) is (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine.
What is the SMILES notation for (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine?
The canonical SMILES for (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine is C=CC(C)(/C=C\[C@H](CCC)N(C)C)C(C)C.
What is the InChIKey of (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine?
The InChIKey is OWHWZNURVYDXBB-VNORQREZSA-N. The full InChI is InChI=1S/C15H29N/c1-8-10-14(16(6)7)11-12-15(5,9-2)13(3)4/h9,11-14H,2,8,10H2,1,3-7H3/b12-11-/t14-,15?/m0/s1.
What are the key properties of (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine?
(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine has a molecular weight of 223.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine is sourced from PubChem (CID 163853448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).