3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine

C15H31N — CID 89192234

IUPAC3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
SMILESC=C(NC(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-11(2)16-12(3)13(15(7,8)9)10-14(4,5)6/h11,13,16H,3,10H2,1-2,4-9H3
InChIKeyLHNHDUNLVTUWQN-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.60
Rot. Bonds4

About 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine

3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine (PubChem CID 89192234) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
PubChem CID89192234
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
SMILESC=C(NC(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-11(2)16-12(3)13(15(7,8)9)10-14(4,5)6/h11,13,16H,3,10H2,1-2,4-9H3
InChIKeyLHNHDUNLVTUWQN-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine?
The IUPAC name of 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine (CID 89192234) is 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine.
What is the SMILES notation for 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine?
The canonical SMILES for 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine is C=C(NC(C)C)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine?
The InChIKey is LHNHDUNLVTUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)16-12(3)13(15(7,8)9)10-14(4,5)6/h11,13,16H,3,10H2,1-2,4-9H3.
What are the key properties of 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine?
3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine is sourced from PubChem (CID 89192234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).