N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine

C14H30N2 — CID 116680290

IUPACN-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCC1CNC1
InChIInChI=1S/C14H30N2/c1-4-5-6-8-14(2,3)12-15-9-7-13-10-16-11-13/h13,15-16H,4-12H2,1-3H3
InChIKeyZNFCQQYFNNDBOU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds9

About N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine

N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine (PubChem CID 116680290) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
PubChem CID116680290
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCC1CNC1
InChIInChI=1S/C14H30N2/c1-4-5-6-8-14(2,3)12-15-9-7-13-10-16-11-13/h13,15-16H,4-12H2,1-3H3
InChIKeyZNFCQQYFNNDBOU-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
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

2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
3-hexylazetidine
CID 79452100
3-butylazetidine
CID 20827268
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
N-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine (CID 116680290) is N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine is CCCCCC(C)(C)CNCCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine?
The InChIKey is ZNFCQQYFNNDBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-8-14(2,3)12-15-9-7-13-10-16-11-13/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine?
N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine is sourced from PubChem (CID 116680290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).