(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine

C15H31N — CID 178036586

IUPAC(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine
SMILESC=C(CC(C)(C)C)N[C@H](CC)CCCCC
InChIInChI=1S/C15H31N/c1-7-9-10-11-14(8-2)16-13(3)12-15(4,5)6/h14,16H,3,7-12H2,1-2,4-6H3/t14-/m1/s1
InChIKeyPRVJKTUXVFNWTI-CQSZACIVSA-N
MW225.42 g/mol
LogP4.88
Rot. Bonds8

About (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine

(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine (PubChem CID 178036586) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine.

Molecular Properties

Compound Name(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine
PubChem CID178036586
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine
SMILESC=C(CC(C)(C)C)N[C@H](CC)CCCCC
InChIInChI=1S/C15H31N/c1-7-9-10-11-14(8-2)16-13(3)12-15(4,5)6/h14,16H,3,7-12H2,1-2,4-6H3/t14-/m1/s1
InChIKeyPRVJKTUXVFNWTI-CQSZACIVSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylnonane;N,4,4-trimethylpent-1-en-2-amine
CID 142526042
13,13-dimethyl-11-methylidene-N-(4-phenylbut-1-en-2-yl)tetradecan-6-amine
CID 167044219
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
N-tetradecan-3-ylprop-2-enamide
CID 54185556
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N'-octan-3-ylbutanediamide
CID 82041118
2-(methylamino)-N-pentadecan-3-ylacetamide
CID 156639958
13,13-dimethyl-11-methylidenetetradecan-6-amine
CID 167044222
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
pentadecan-3-ylhydrazine
CID 105200968
tridecan-3-ylhydrazine
CID 105201157

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine?
The IUPAC name of (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine (CID 178036586) is (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine.
What is the SMILES notation for (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine?
The canonical SMILES for (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine is C=C(CC(C)(C)C)N[C@H](CC)CCCCC.
What is the InChIKey of (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine?
The InChIKey is PRVJKTUXVFNWTI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H31N/c1-7-9-10-11-14(8-2)16-13(3)12-15(4,5)6/h14,16H,3,7-12H2,1-2,4-6H3/t14-/m1/s1.
What are the key properties of (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine?
(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine is sourced from PubChem (CID 178036586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).