1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine

C14H28N2O — CID 62435890

IUPAC1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-12(5-3-9-15-13-7-8-13)16(2)11-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyBMDPQHNCBXBDTR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds8

About 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine (PubChem CID 62435890) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
PubChem CID62435890
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)CC1CCCO1
InChIInChI=1S/C14H28N2O/c1-12(5-3-9-15-13-7-8-13)16(2)11-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyBMDPQHNCBXBDTR-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62435187
1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
CID 55072495

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine (CID 62435890) is 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine is CC(CCCNC1CC1)N(C)CC1CCCO1.
What is the InChIKey of 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine?
The InChIKey is BMDPQHNCBXBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(5-3-9-15-13-7-8-13)16(2)11-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 62435890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).