N,2,3,3,5-pentamethyloctan-2-amine

C13H29N — CID 126735741

IUPACN,2,3,3,5-pentamethyloctan-2-amine
SMILESCCCC(C)CC(C)(C)C(C)(C)NC
InChIInChI=1S/C13H29N/c1-8-9-11(2)10-12(3,4)13(5,6)14-7/h11,14H,8-10H2,1-7H3
InChIKeyZSGOVBHREZQJPE-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N,2,3,3,5-pentamethyloctan-2-amine

N,2,3,3,5-pentamethyloctan-2-amine (PubChem CID 126735741) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,2,3,3,5-pentamethyloctan-2-amine.

Molecular Properties

Compound NameN,2,3,3,5-pentamethyloctan-2-amine
PubChem CID126735741
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,2,3,3,5-pentamethyloctan-2-amine
SMILESCCCC(C)CC(C)(C)C(C)(C)NC
InChIInChI=1S/C13H29N/c1-8-9-11(2)10-12(3,4)13(5,6)14-7/h11,14H,8-10H2,1-7H3
InChIKeyZSGOVBHREZQJPE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
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1,1,1-trichloro-3-methylhexane
CID 23264412
1-chloro-2,2,4-trimethylheptane
CID 66059738
1-bromo-2-(bromomethyl)-2,4-dimethylheptane
CID 79453962
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
2-(2,4-dimethylheptan-2-yl)-N,5-dimethylcyclohexan-1-amine
CID 64765922
3,6,6,8-tetramethylundecane
CID 90718379
N-tert-butyl-2-methylpentan-1-amine
CID 43200440

Frequently Asked Questions

What is the IUPAC name of N,2,3,3,5-pentamethyloctan-2-amine?
The IUPAC name of N,2,3,3,5-pentamethyloctan-2-amine (CID 126735741) is N,2,3,3,5-pentamethyloctan-2-amine.
What is the SMILES notation for N,2,3,3,5-pentamethyloctan-2-amine?
The canonical SMILES for N,2,3,3,5-pentamethyloctan-2-amine is CCCC(C)CC(C)(C)C(C)(C)NC.
What is the InChIKey of N,2,3,3,5-pentamethyloctan-2-amine?
The InChIKey is ZSGOVBHREZQJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-9-11(2)10-12(3,4)13(5,6)14-7/h11,14H,8-10H2,1-7H3.
What are the key properties of N,2,3,3,5-pentamethyloctan-2-amine?
N,2,3,3,5-pentamethyloctan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,3,5-pentamethyloctan-2-amine is sourced from PubChem (CID 126735741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).