2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine

C17H36N2O2 — CID 82939975

IUPAC2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCOCC)CCOCC
InChIInChI=1S/C17H36N2O2/c1-4-10-18-17-9-7-8-16(17)15-19(11-13-20-5-2)12-14-21-6-3/h16-18H,4-15H2,1-3H3
InChIKeyHIMDDQLRXCLIIF-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds13

About 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine

2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 82939975) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID82939975
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCOCC)CCOCC
InChIInChI=1S/C17H36N2O2/c1-4-10-18-17-9-7-8-16(17)15-19(11-13-20-5-2)12-14-21-6-3/h16-18H,4-15H2,1-3H3
InChIKeyHIMDDQLRXCLIIF-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55226538
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953790
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 82939975) is 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN(CCOCC)CCOCC.
What is the InChIKey of 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is HIMDDQLRXCLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-4-10-18-17-9-7-8-16(17)15-19(11-13-20-5-2)12-14-21-6-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 82939975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).