N-tert-butyl-N-propan-2-ylpentan-1-amine

C12H27N — CID 166958417

IUPACN-tert-butyl-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(C(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-9-10-13(11(2)3)12(4,5)6/h11H,7-10H2,1-6H3
InChIKeyTZYQMNALEHDNPO-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.69
Rot. Bonds5

About N-tert-butyl-N-propan-2-ylpentan-1-amine

N-tert-butyl-N-propan-2-ylpentan-1-amine (PubChem CID 166958417) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-tert-butyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-propan-2-ylpentan-1-amine
PubChem CID166958417
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-tert-butyl-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(C(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-9-10-13(11(2)3)12(4,5)6/h11H,7-10H2,1-6H3
InChIKeyTZYQMNALEHDNPO-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 170213540
3-methoxy-2-methyl-2-[pentyl(propan-2-yl)amino]propanoic acid
CID 115002602
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N,N-ditert-butylhexadecan-1-amine
CID 138920579
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113489996
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113483736
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-tert-butyl-N-propan-2-ylpentan-1-amine (CID 166958417) is N-tert-butyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-tert-butyl-N-propan-2-ylpentan-1-amine is CCCCCN(C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-propan-2-ylpentan-1-amine?
The InChIKey is TZYQMNALEHDNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-9-10-13(11(2)3)12(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-N-propan-2-ylpentan-1-amine?
N-tert-butyl-N-propan-2-ylpentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 166958417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).