1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane

C14H34N2 — CID 168995514

IUPAC1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane
SMILESCC.CC.CNCC1(C)CCCCN(C)C1
InChIInChI=1S/C10H22N2.2C2H6/c1-10(8-11-2)6-4-5-7-12(3)9-10;2*1-2/h11H,4-9H2,1-3H3;2*1-2H3
InChIKeyNZCGSIGCYPYTSE-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.38
Rot. Bonds2

About 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane

1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane (PubChem CID 168995514) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane
PubChem CID168995514
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Name1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane
SMILESCC.CC.CNCC1(C)CCCCN(C)C1
InChIInChI=1S/C10H22N2.2C2H6/c1-10(8-11-2)6-4-5-7-12(3)9-10;2*1-2/h11H,4-9H2,1-3H3;2*1-2H3
InChIKeyNZCGSIGCYPYTSE-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
1-(3-methoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105435284
1,3,3-trimethylazepane
CID 18711354
2-(1,3-dimethylpyrrolidin-3-yl)-N-methylethanamine
CID 144987620
1-(3-ethoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105442315
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
N,1,3-trimethylpiperidin-3-amine
CID 82594451
1,6,6-trimethylazecane
CID 137411495
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
CID 106318664

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane (CID 168995514) is 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane is CC.CC.CNCC1(C)CCCCN(C)C1.
What is the InChIKey of 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane?
The InChIKey is NZCGSIGCYPYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.2C2H6/c1-10(8-11-2)6-4-5-7-12(3)9-10;2*1-2/h11H,4-9H2,1-3H3;2*1-2H3.
What are the key properties of 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane?
1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane has a molecular weight of 230.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane is sourced from PubChem (CID 168995514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).