N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine

C12H25N — CID 139335673

IUPACN,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine
SMILESC=C(CC(C)(C)N(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10(11(2,3)4)9-12(5,6)13(7)8/h1,9H2,2-8H3
InChIKeyRELKWRORNRXQKZ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.32
Rot. Bonds3

About N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine

N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine (PubChem CID 139335673) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound NameN,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine
PubChem CID139335673
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine
SMILESC=C(CC(C)(C)N(C)C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10(11(2,3)4)9-12(5,6)13(7)8/h1,9H2,2-8H3
InChIKeyRELKWRORNRXQKZ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,4,4,5-Octamethylpyridine
CID 18730034
N,N,5-trimethyl-4-methylidenehexan-1-amine
CID 58274836
N,N,5,5-tetramethyl-4-methylideneheptan-1-amine
CID 89889949
N,2,2,5-tetramethyl-N-propylhex-5-en-1-amine
CID 90917408
Trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium
CID 91034036
N,N,2,5-tetramethyl-4-methylidenehexan-1-amine
CID 91500285
(4-Ethyl-2,4-dimethyl-3-methylidenehexan-2-yl)-methyl-methylideneazanium
CID 91613247
5-tert-butyl-1-methyl-3,4-dihydro-2H-pyridine
CID 118055983
3,5-Dimethylhex-5-en-3-yl(trimethyl)azanium
CID 123647181
N,N,7,7-tetramethyl-6-methylideneoctan-1-amine
CID 126554487
N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine
CID 129311029
N,N,4,4-tetramethyl-3-methylidenepentan-1-amine
CID 130253178

Frequently Asked Questions

What is the IUPAC name of N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine?
The IUPAC name of N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine (CID 139335673) is N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine.
What is the SMILES notation for N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine?
The canonical SMILES for N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine is C=C(CC(C)(C)N(C)C)C(C)(C)C.
What is the InChIKey of N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine?
The InChIKey is RELKWRORNRXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(11(2,3)4)9-12(5,6)13(7)8/h1,9H2,2-8H3.
What are the key properties of N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine?
N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5,5-pentamethyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 139335673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).