3,3-diethyl-2-methylheptadecan-2-amine

C22H47N — CID 139431028

IUPAC3,3-diethyl-2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCC(CC)(CC)C(C)(C)N
InChIInChI=1S/C22H47N/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-22(7-2,8-3)21(4,5)23/h6-20,23H2,1-5H3
InChIKeyKIZGXFCXYYPUAM-UHFFFAOYSA-N
MW325.63 g/mol
LogP7.62
Rot. Bonds16

About 3,3-diethyl-2-methylheptadecan-2-amine

3,3-diethyl-2-methylheptadecan-2-amine (PubChem CID 139431028) has the molecular formula C22H47N and a molecular weight of 325.63 g/mol. Its IUPAC name is 3,3-diethyl-2-methylheptadecan-2-amine.

Molecular Properties

Compound Name3,3-diethyl-2-methylheptadecan-2-amine
PubChem CID139431028
Molecular FormulaC22H47N
Molecular Weight325.63 g/mol
Exact Mass325.37
IUPAC Name3,3-diethyl-2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCC(CC)(CC)C(C)(C)N
InChIInChI=1S/C22H47N/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-22(7-2,8-3)21(4,5)23/h6-20,23H2,1-5H3
InChIKeyKIZGXFCXYYPUAM-UHFFFAOYSA-N
XLogP7.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropan-2-yl)-3-ethylheptan-1-ol
CID 66090744
3-methyloctadecan-3-amine
CID 54058172
13-decyl-14-dodecyl-12-heptyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 90777145
5-butylhexadecan-5-amine
CID 22244897
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
5-ethyl-5-methylundecane
CID 57491570
3-ethylnonadecan-3-amine
CID 19028625
5-ethyl-5-methylhenicosane
CID 86034991

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methylheptadecan-2-amine?
The IUPAC name of 3,3-diethyl-2-methylheptadecan-2-amine (CID 139431028) is 3,3-diethyl-2-methylheptadecan-2-amine.
What is the SMILES notation for 3,3-diethyl-2-methylheptadecan-2-amine?
The canonical SMILES for 3,3-diethyl-2-methylheptadecan-2-amine is CCCCCCCCCCCCCCC(CC)(CC)C(C)(C)N.
What is the InChIKey of 3,3-diethyl-2-methylheptadecan-2-amine?
The InChIKey is KIZGXFCXYYPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-22(7-2,8-3)21(4,5)23/h6-20,23H2,1-5H3.
What are the key properties of 3,3-diethyl-2-methylheptadecan-2-amine?
3,3-diethyl-2-methylheptadecan-2-amine has a molecular weight of 325.63 g/mol, XLogP of 7.62, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methylheptadecan-2-amine is sourced from PubChem (CID 139431028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).