N,N,3,5,6-pentamethylheptan-2-amine

C12H27N — CID 146386627

IUPACN,N,3,5,6-pentamethylheptan-2-amine
SMILESCC(C)C(C)CC(C)C(C)N(C)C
InChIInChI=1S/C12H27N/c1-9(2)10(3)8-11(4)12(5)13(6)7/h9-12H,8H2,1-7H3
InChIKeyJUBAEKQEKWDLEI-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.25
Rot. Bonds5

About N,N,3,5,6-pentamethylheptan-2-amine

N,N,3,5,6-pentamethylheptan-2-amine (PubChem CID 146386627) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,3,5,6-pentamethylheptan-2-amine.

Molecular Properties

Compound NameN,N,3,5,6-pentamethylheptan-2-amine
PubChem CID146386627
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,3,5,6-pentamethylheptan-2-amine
SMILESCC(C)C(C)CC(C)C(C)N(C)C
InChIInChI=1S/C12H27N/c1-9(2)10(3)8-11(4)12(5)13(6)7/h9-12H,8H2,1-7H3
InChIKeyJUBAEKQEKWDLEI-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214
2,3,5,6,8-pentamethyldecane
CID 123990465
(2R,4S)-4,5-dimethylhexan-2-ol
CID 124507307
(2S,4R)-4,5-dimethylhexan-2-ol
CID 124507308
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071
(5R)-2,3,5-trimethylheptane
CID 59882960
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
2,3,5,6,7,7-hexamethylnonane
CID 123984490
2,4,5,6,8,9,10,12-octamethyltridecane
CID 159934910
(2R,3R)-2-(dimethylamino)pentan-3-ol
CID 59946424
2,4,5-trimethylhexanal
CID 21437617

Frequently Asked Questions

What is the IUPAC name of N,N,3,5,6-pentamethylheptan-2-amine?
The IUPAC name of N,N,3,5,6-pentamethylheptan-2-amine (CID 146386627) is N,N,3,5,6-pentamethylheptan-2-amine.
What is the SMILES notation for N,N,3,5,6-pentamethylheptan-2-amine?
The canonical SMILES for N,N,3,5,6-pentamethylheptan-2-amine is CC(C)C(C)CC(C)C(C)N(C)C.
What is the InChIKey of N,N,3,5,6-pentamethylheptan-2-amine?
The InChIKey is JUBAEKQEKWDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-9(2)10(3)8-11(4)12(5)13(6)7/h9-12H,8H2,1-7H3.
What are the key properties of N,N,3,5,6-pentamethylheptan-2-amine?
N,N,3,5,6-pentamethylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5,6-pentamethylheptan-2-amine is sourced from PubChem (CID 146386627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).