N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine

C17H36N2 — CID 65087423

IUPACN',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
SMILESCCCC1CCCC(NCCCN(CC)CC)CC1
InChIInChI=1S/C17H36N2/c1-4-9-16-10-7-11-17(13-12-16)18-14-8-15-19(5-2)6-3/h16-18H,4-15H2,1-3H3
InChIKeyBZXJSDKJZIFQDK-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine

N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine (PubChem CID 65087423) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
PubChem CID65087423
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
SMILESCCCC1CCCC(NCCCN(CC)CC)CC1
InChIInChI=1S/C17H36N2/c1-4-9-16-10-7-11-17(13-12-16)18-14-8-15-19(5-2)6-3/h16-18H,4-15H2,1-3H3
InChIKeyBZXJSDKJZIFQDK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64756068
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine (CID 65087423) is N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine is CCCC1CCCC(NCCCN(CC)CC)CC1.
What is the InChIKey of N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine?
The InChIKey is BZXJSDKJZIFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-9-16-10-7-11-17(13-12-16)18-14-8-15-19(5-2)6-3/h16-18H,4-15H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine?
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine is sourced from PubChem (CID 65087423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).