N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine

C12H25N — CID 20806809

IUPACN-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine
SMILESC=C(C(C)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(11(3,4)5)10(2)13-12(6,7)8/h10,13H,1H2,2-8H3
InChIKeyUBRLQZRZNRJETM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds2

About N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine

N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine (PubChem CID 20806809) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine
PubChem CID20806809
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine
SMILESC=C(C(C)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(11(3,4)5)10(2)13-12(6,7)8/h10,13H,1H2,2-8H3
InChIKeyUBRLQZRZNRJETM-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,3,3-tetramethylbutyl)-2-propen-1-amine
CID 60976634
N-tert-butyl-2-methylidenebutan-1-amine
CID 55302674
2,3-dimethyl-N-propan-2-ylbut-3-en-2-amine
CID 11171296
2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 18710926
N-tert-butyl-3,3-dimethyl-2-methylidenebutan-1-amine
CID 20806805
N-tert-butyl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 20806813
N-(3,3-dimethylbutan-2-yl)-2,4,4-trimethylpent-1-en-3-amine
CID 57660031
3-methyl-2-methylidene-N-propan-2-ylbutan-1-amine
CID 58718174
4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 58970409
4,4-dimethyl-N-(2-methylprop-2-enyl)pentan-1-amine
CID 60061020
N-ethyl-6,6-dimethylhept-1-en-4-amine
CID 63891520
N-ethyl-2,4-dimethylhex-1-en-3-amine
CID 79177722

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine?
The IUPAC name of N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine (CID 20806809) is N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine.
What is the SMILES notation for N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine?
The canonical SMILES for N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine is C=C(C(C)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine?
The InChIKey is UBRLQZRZNRJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(11(3,4)5)10(2)13-12(6,7)8/h10,13H,1H2,2-8H3.
What are the key properties of N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine?
N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethyl-3-methylidenepentan-2-amine is sourced from PubChem (CID 20806809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).