N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine

C16H33N — CID 170048079

IUPACN,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
SMILESC=C(C(C)C)C(CCC)CC(C)N(C)C(C)C
InChIInChI=1S/C16H33N/c1-9-10-16(15(7)12(2)3)11-14(6)17(8)13(4)5/h12-14,16H,7,9-11H2,1-6,8H3
InChIKeyLCDAHNRIGGQKIE-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.73
Rot. Bonds8

About N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine

N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine (PubChem CID 170048079) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
PubChem CID170048079
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
SMILESC=C(C(C)C)C(CCC)CC(C)N(C)C(C)C
InChIInChI=1S/C16H33N/c1-9-10-16(15(7)12(2)3)11-14(6)17(8)13(4)5/h12-14,16H,7,9-11H2,1-6,8H3
InChIKeyLCDAHNRIGGQKIE-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.73
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

2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
4-chloro-2-methyl-3-methylideneheptane
CID 56988326
N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
CID 139294846
(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
CID 89150856
3-[methyl(propan-2-yl)amino]hexan-2-ol
CID 89003622
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
2-methylidene-3-propylnonadecanoic acid
CID 174308550
(5S)-N,4,5-trimethyl-N-pentan-2-ylheptan-2-amine
CID 163911487
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine?
The IUPAC name of N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine (CID 170048079) is N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine.
What is the SMILES notation for N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine?
The canonical SMILES for N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine is C=C(C(C)C)C(CCC)CC(C)N(C)C(C)C.
What is the InChIKey of N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine?
The InChIKey is LCDAHNRIGGQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-9-10-16(15(7)12(2)3)11-14(6)17(8)13(4)5/h12-14,16H,7,9-11H2,1-6,8H3.
What are the key properties of N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine?
N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine is sourced from PubChem (CID 170048079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).