N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine

C18H25N3 — CID 115306733

IUPACN-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
SMILESc1ccc2nc(NCCNC3CCCCCC3)ccc2c1
InChIInChI=1S/C18H25N3/c1-2-4-9-16(8-3-1)19-13-14-20-18-12-11-15-7-5-6-10-17(15)21-18/h5-7,10-12,16,19H,1-4,8-9,13-14H2,(H,20,21)
InChIKeyQOMUFEHOULZMEN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.96
Rot. Bonds5

About N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine

N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine (PubChem CID 115306733) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
PubChem CID115306733
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
SMILESc1ccc2nc(NCCNC3CCCCCC3)ccc2c1
InChIInChI=1S/C18H25N3/c1-2-4-9-16(8-3-1)19-13-14-20-18-12-11-15-7-5-6-10-17(15)21-18/h5-7,10-12,16,19H,1-4,8-9,13-14H2,(H,20,21)
InChIKeyQOMUFEHOULZMEN-UHFFFAOYSA-N
XLogP3.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
N-(2-cyclohexylethyl)quinolin-2-amine
CID 55223452
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
N'-(1,2,4-benzotriazin-3-yl)-N-cycloheptylethane-1,2-diamine
CID 103204756
N'-(1,3-benzoxazol-2-yl)-N-cycloheptylethane-1,2-diamine
CID 115306743
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N'-pyrido[2,3-b]pyrazin-6-yl-N-quinolin-2-ylethane-1,2-diamine
CID 133309761
N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine
CID 65029143
1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
CID 47092532
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
N-(2-phenylethyl)quinolin-2-amine
CID 29300407
3-(quinolin-2-ylamino)propan-1-ol
CID 581988

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine (CID 115306733) is N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine is c1ccc2nc(NCCNC3CCCCCC3)ccc2c1.
What is the InChIKey of N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine?
The InChIKey is QOMUFEHOULZMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-4-9-16(8-3-1)19-13-14-20-18-12-11-15-7-5-6-10-17(15)21-18/h5-7,10-12,16,19H,1-4,8-9,13-14H2,(H,20,21).
What are the key properties of N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine?
N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 115306733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).