N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine

C21H45N — CID 170038627

IUPACN,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine
SMILESCNC(C)(C)C(C)(C)C(C)C(C(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C21H45N/c1-15(2)17(19(7,8)14-18(4,5)6)16(3)20(9,10)21(11,12)22-13/h15-17,22H,14H2,1-13H3
InChIKeyXODHLSMRJGVEFH-UHFFFAOYSA-N
MW311.60 g/mol
LogP6.38
Rot. Bonds7

About N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine

N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine (PubChem CID 170038627) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine.

Molecular Properties

Compound NameN,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine
PubChem CID170038627
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine
SMILESCNC(C)(C)C(C)(C)C(C)C(C(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C21H45N/c1-15(2)17(19(7,8)14-18(4,5)6)16(3)20(9,10)21(11,12)22-13/h15-17,22H,14H2,1-13H3
InChIKeyXODHLSMRJGVEFH-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine
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2,3,3,5,5-pentamethylhexaneperoxoic acid
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CID 57492978
ethane;2,2,4,4,5,8-hexamethylnonane
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Frequently Asked Questions

What is the IUPAC name of N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine?
The IUPAC name of N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine (CID 170038627) is N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine.
What is the SMILES notation for N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine?
The canonical SMILES for N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine is CNC(C)(C)C(C)(C)C(C)C(C(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine?
The InChIKey is XODHLSMRJGVEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-15(2)17(19(7,8)14-18(4,5)6)16(3)20(9,10)21(11,12)22-13/h15-17,22H,14H2,1-13H3.
What are the key properties of N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine?
N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine has a molecular weight of 311.60 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,3,4,6,6,8,8-nonamethyl-5-propan-2-ylnonan-2-amine is sourced from PubChem (CID 170038627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).