N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine

C14H28N2 — CID 115326187

IUPACN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCC1CC2CCC1N2
InChIInChI=1S/C14H28N2/c1-11(2)5-3-4-8-15-10-12-9-13-6-7-14(12)16-13/h11-16H,3-10H2,1-2H3
InChIKeyRCHVTNRRZCNUJU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.54
Rot. Bonds7

About N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine

N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine (PubChem CID 115326187) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
PubChem CID115326187
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
SMILESCC(C)CCCCNCC1CC2CCC1N2
InChIInChI=1S/C14H28N2/c1-11(2)5-3-4-8-15-10-12-9-13-6-7-14(12)16-13/h11-16H,3-10H2,1-2H3
InChIKeyRCHVTNRRZCNUJU-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
CID 115326087
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
1-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-butylurea
CID 165451487
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
CID 115214235

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine (CID 115326187) is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine is CC(C)CCCCNCC1CC2CCC1N2.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine?
The InChIKey is RCHVTNRRZCNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)5-3-4-8-15-10-12-9-13-6-7-14(12)16-13/h11-16H,3-10H2,1-2H3.
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine?
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine is sourced from PubChem (CID 115326187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).