N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine

C14H29N — CID 170179650

IUPACN-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
SMILESC=C(C(CC)N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29N/c1-10-12(11(2)13(3,4)5)15(9)14(6,7)8/h12H,2,10H2,1,3-9H3
InChIKeyOTFDQSVIIHTDDC-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds3

About N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine

N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine (PubChem CID 170179650) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
PubChem CID170179650
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
SMILESC=C(C(CC)N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29N/c1-10-12(11(2)13(3,4)5)15(9)14(6,7)8/h12H,2,10H2,1,3-9H3
InChIKeyOTFDQSVIIHTDDC-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
CID 176616493
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
toluene;2,2,4-trimethyl-3-methylidenehexane
CID 143153618
(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
2-[tert-butyl(methyl)amino]butanenitrile
CID 131042898
2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 63981250
2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
CID 173089642
2-N-tert-butyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 18340921
2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
3-ethyl-2,3,5-trimethyl-4-methylideneheptane
CID 123873346
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
CID 59668998

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine?
The IUPAC name of N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine (CID 170179650) is N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine.
What is the SMILES notation for N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine?
The canonical SMILES for N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine is C=C(C(CC)N(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine?
The InChIKey is OTFDQSVIIHTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10-12(11(2)13(3,4)5)15(9)14(6,7)8/h12H,2,10H2,1,3-9H3.
What are the key properties of N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine?
N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine is sourced from PubChem (CID 170179650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).