N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine

C12H26N2 — CID 84668485

IUPACN,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine
SMILESCNC(C)(C)CC1CCCN(C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,13-3)10-11-6-5-8-14(4)9-7-11/h11,13H,5-10H2,1-4H3
InChIKeyGCDPLVZZXJPKMN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds3

About N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine

N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine (PubChem CID 84668485) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine
PubChem CID84668485
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine
SMILESCNC(C)(C)CC1CCCN(C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,13-3)10-11-6-5-8-14(4)9-7-11/h11,13H,5-10H2,1-4H3
InChIKeyGCDPLVZZXJPKMN-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-difluoropropyl)-1-methylazocane
CID 154553887
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
2-fluoro-N,2-dimethyl-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 105454869
N,2-dimethyl-1-piperidin-4-ylpropan-2-amine
CID 84653930
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115132980
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
CID 142409504

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine?
The IUPAC name of N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine (CID 84668485) is N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine is CNC(C)(C)CC1CCCN(C)CC1.
What is the InChIKey of N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine?
The InChIKey is GCDPLVZZXJPKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,13-3)10-11-6-5-8-14(4)9-7-11/h11,13H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine?
N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine is sourced from PubChem (CID 84668485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).