5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine

C13H28N2 — CID 115326087

IUPAC5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCNCC1CCNC1C
InChIInChI=1S/C13H28N2/c1-11(2)6-4-5-8-14-10-13-7-9-15-12(13)3/h11-15H,4-10H2,1-3H3
InChIKeyXPIPSMFYMIGUPY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.40
Rot. Bonds7

About 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine

5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine (PubChem CID 115326087) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
PubChem CID115326087
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCNCC1CCNC1C
InChIInChI=1S/C13H28N2/c1-11(2)6-4-5-8-14-10-13-7-9-15-12(13)3/h11-15H,4-10H2,1-3H3
InChIKeyXPIPSMFYMIGUPY-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.40
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

N-[(2-methylpyrrolidin-3-yl)methyl]octan-1-amine
CID 115568782
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
CID 115326187
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
[2-[(4-methylpentylamino)methyl]cyclohexyl]methanol
CID 83156139
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine (CID 115326087) is 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine is CC(C)CCCCNCC1CCNC1C.
What is the InChIKey of 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine?
The InChIKey is XPIPSMFYMIGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)6-4-5-8-14-10-13-7-9-15-12(13)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine?
5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 115326087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).