4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine

C14H30N2 — CID 65247436

IUPAC4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
SMILESCCC1CCCN(CCC(C)(C)CN)CC1
InChIInChI=1S/C14H30N2/c1-4-13-6-5-9-16(10-7-13)11-8-14(2,3)12-15/h13H,4-12,15H2,1-3H3
InChIKeyBSDDICUHUHCIJL-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine

4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65247436) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID65247436
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
SMILESCCC1CCCN(CCC(C)(C)CN)CC1
InChIInChI=1S/C14H30N2/c1-4-13-6-5-9-16(10-7-13)11-8-14(2,3)12-15/h13H,4-12,15H2,1-3H3
InChIKeyBSDDICUHUHCIJL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
1-[4-[1-(3,3-dimethylbutyl)azepan-4-yl]-3,3-dimethylbutyl]azocane
CID 170446747
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
1,4-diethylazepane
CID 67522864
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
CID 143029154
2,2-dimethyl-4-(1,4-thiazepan-4-yl)butan-1-amine
CID 65247473

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine (CID 65247436) is 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine is CCC1CCCN(CCC(C)(C)CN)CC1.
What is the InChIKey of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is BSDDICUHUHCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13-6-5-9-16(10-7-13)11-8-14(2,3)12-15/h13H,4-12,15H2,1-3H3.
What are the key properties of 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine?
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65247436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).