6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine

C30H63N — CID 146572754

IUPAC6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine
SMILESCCC(C)CC(C)(C)C(CC)C(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)NC(C)C
InChIInChI=1S/C30H63N/c1-17-23(5)19-27(9,10)24(18-2)25(28(11,12)20-26(6,7)8)29(13,14)21-30(15,16)31-22(3)4/h22-25,31H,17-21H2,1-16H3
InChIKeyUBTAGWXNHBBPOT-UHFFFAOYSA-N
MW437.84 g/mol
LogP9.75
Rot. Bonds13

About 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine

6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine (PubChem CID 146572754) has the molecular formula C30H63N and a molecular weight of 437.84 g/mol. Its IUPAC name is 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine.

Molecular Properties

Compound Name6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine
PubChem CID146572754
Molecular FormulaC30H63N
Molecular Weight437.84 g/mol
Exact Mass437.50
IUPAC Name6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine
SMILESCCC(C)CC(C)(C)C(CC)C(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)NC(C)C
InChIInChI=1S/C30H63N/c1-17-23(5)19-27(9,10)24(18-2)25(28(11,12)20-26(6,7)8)29(13,14)21-30(15,16)31-22(3)4/h22-25,31H,17-21H2,1-16H3
InChIKeyUBTAGWXNHBBPOT-UHFFFAOYSA-N
XLogP9.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,2,4-trimethyl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 146200447
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
2,2,3,4,5,5,7-heptamethylnonane
CID 123300553
N-tert-butyl-2,4-dimethylhexan-2-amine
CID 90827522
4-(2,4-dimethylhexan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]aniline
CID 101020371
N,N-bis[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]acetamide
CID 155175016
2,3,3,5-tetramethyl-5-N-(3,3,5,5-tetramethylhexan-2-yl)hexane-2,5-diamine
CID 138712839
7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
CID 134218296
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
3,5,5,6,10-pentamethyldodecane
CID 91028841

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine?
The IUPAC name of 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine (CID 146572754) is 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine.
What is the SMILES notation for 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine?
The canonical SMILES for 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine is CCC(C)CC(C)(C)C(CC)C(C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)NC(C)C.
What is the InChIKey of 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine?
The InChIKey is UBTAGWXNHBBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N/c1-17-23(5)19-27(9,10)24(18-2)25(28(11,12)20-26(6,7)8)29(13,14)21-30(15,16)31-22(3)4/h22-25,31H,17-21H2,1-16H3.
What are the key properties of 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine?
6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine has a molecular weight of 437.84 g/mol, XLogP of 9.75, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4,4,7,7,9-hexamethyl-N-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)undecan-2-amine is sourced from PubChem (CID 146572754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).