N-(2-ethyldodecyl)cyclopropanamine

C17H35N — CID 63521510

IUPACN-(2-ethyldodecyl)cyclopropanamine
SMILESCCCCCCCCCCC(CC)CNC1CC1
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-18-17-13-14-17/h16-18H,3-15H2,1-2H3
InChIKeyJJYNOIKSHALXFF-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds13

About N-(2-ethyldodecyl)cyclopropanamine

N-(2-ethyldodecyl)cyclopropanamine (PubChem CID 63521510) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(2-ethyldodecyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyldodecyl)cyclopropanamine
PubChem CID63521510
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(2-ethyldodecyl)cyclopropanamine
SMILESCCCCCCCCCCC(CC)CNC1CC1
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-18-17-13-14-17/h16-18H,3-15H2,1-2H3
InChIKeyJJYNOIKSHALXFF-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
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

N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyldodecyl)cyclopropanamine?
The IUPAC name of N-(2-ethyldodecyl)cyclopropanamine (CID 63521510) is N-(2-ethyldodecyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyldodecyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyldodecyl)cyclopropanamine is CCCCCCCCCCC(CC)CNC1CC1.
What is the InChIKey of N-(2-ethyldodecyl)cyclopropanamine?
The InChIKey is JJYNOIKSHALXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-18-17-13-14-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-(2-ethyldodecyl)cyclopropanamine?
N-(2-ethyldodecyl)cyclopropanamine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyldodecyl)cyclopropanamine is sourced from PubChem (CID 63521510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).