N-benzyl-5-methylazepan-4-amine

C14H22N2 — CID 174634749

IUPACN-benzyl-5-methylazepan-4-amine
SMILESCC1CCNCCC1NCc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-7-9-15-10-8-14(12)16-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyPMGFEVZELPQVIY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.16
Rot. Bonds3

About N-benzyl-5-methylazepan-4-amine

N-benzyl-5-methylazepan-4-amine (PubChem CID 174634749) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-5-methylazepan-4-amine.

Molecular Properties

Compound NameN-benzyl-5-methylazepan-4-amine
PubChem CID174634749
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-5-methylazepan-4-amine
SMILESCC1CCNCCC1NCc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-7-9-15-10-8-14(12)16-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyPMGFEVZELPQVIY-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-N-benzyl-3-methyloxan-4-amine
CID 121252774
N-benzyl-2-methylpiperidin-3-amine
CID 131060344
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
(3R,4S)-N-benzyl-3-(2-methylprop-2-enoxy)piperidin-4-amine
CID 141335313
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-methylazepan-4-amine
CID 128873847
(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 169132478
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methylazepan-4-amine?
The IUPAC name of N-benzyl-5-methylazepan-4-amine (CID 174634749) is N-benzyl-5-methylazepan-4-amine.
What is the SMILES notation for N-benzyl-5-methylazepan-4-amine?
The canonical SMILES for N-benzyl-5-methylazepan-4-amine is CC1CCNCCC1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-methylazepan-4-amine?
The InChIKey is PMGFEVZELPQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-7-9-15-10-8-14(12)16-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3.
What are the key properties of N-benzyl-5-methylazepan-4-amine?
N-benzyl-5-methylazepan-4-amine has a molecular weight of 218.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methylazepan-4-amine is sourced from PubChem (CID 174634749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).