1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine

C14H30N2O2 — CID 62462661

IUPAC1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
SMILESCOCCN(CCOC)C(C)CCCNC1CC1
InChIInChI=1S/C14H30N2O2/c1-13(5-4-8-15-14-6-7-14)16(9-11-17-2)10-12-18-3/h13-15H,4-12H2,1-3H3
InChIKeyCDONSNPPXQBGST-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds12

About 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine

1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine (PubChem CID 62462661) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
PubChem CID62462661
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
SMILESCOCCN(CCOC)C(C)CCCNC1CC1
InChIInChI=1S/C14H30N2O2/c1-13(5-4-8-15-14-6-7-14)16(9-11-17-2)10-12-18-3/h13-15H,4-12H2,1-3H3
InChIKeyCDONSNPPXQBGST-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
CID 116500457
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-(4-methylhexyl)cyclopropanamine
CID 62529631

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine (CID 62462661) is 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine is COCCN(CCOC)C(C)CCCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine?
The InChIKey is CDONSNPPXQBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(5-4-8-15-14-6-7-14)16(9-11-17-2)10-12-18-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine is sourced from PubChem (CID 62462661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).