N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine

C21H40N2 — CID 153298864

IUPACN-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine
SMILESC=CCCCCN(C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C21H40N2/c1-9-10-11-12-13-22(8)16-21-14-17(19(2,3)4)23(18(21)15-21)20(5,6)7/h9,17-18H,1,10-16H2,2-8H3/t17?,18-,21+/m1/s1
InChIKeyRQJKXCXHEPHZII-MBSQGRNLSA-N
MW320.57 g/mol
LogP4.95
Rot. Bonds7

About N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine

N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine (PubChem CID 153298864) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine.

Molecular Properties

Compound NameN-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine
PubChem CID153298864
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC NameN-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine
SMILESC=CCCCCN(C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C21H40N2/c1-9-10-11-12-13-22(8)16-21-14-17(19(2,3)4)23(18(21)15-21)20(5,6)7/h9,17-18H,1,10-16H2,2-8H3/t17?,18-,21+/m1/s1
InChIKeyRQJKXCXHEPHZII-MBSQGRNLSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine?
The IUPAC name of N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine (CID 153298864) is N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine.
What is the SMILES notation for N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine?
The canonical SMILES for N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine is C=CCCCCN(C)C[C@@]12CC(C(C)(C)C)N(C(C)(C)C)[C@@H]1C2.
What is the InChIKey of N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine?
The InChIKey is RQJKXCXHEPHZII-MBSQGRNLSA-N. The full InChI is InChI=1S/C21H40N2/c1-9-10-11-12-13-22(8)16-21-14-17(19(2,3)4)23(18(21)15-21)20(5,6)7/h9,17-18H,1,10-16H2,2-8H3/t17?,18-,21+/m1/s1.
What are the key properties of N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine?
N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine has a molecular weight of 320.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylhex-5-en-1-amine is sourced from PubChem (CID 153298864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).