N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine

C13H28N2 — CID 62418711

IUPACN-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-13(2,3)14-10-6-5-7-11-15(4)12-8-9-12/h12,14H,5-11H2,1-4H3
InChIKeyAGEGTNIVBCYIEA-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds7

About N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine

N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine (PubChem CID 62418711) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
PubChem CID62418711
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-13(2,3)14-10-6-5-7-11-15(4)12-8-9-12/h12,14H,5-11H2,1-4H3
InChIKeyAGEGTNIVBCYIEA-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
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-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437708
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine (CID 62418711) is N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine is CN(CCCCCNC(C)(C)C)C1CC1.
What is the InChIKey of N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine?
The InChIKey is AGEGTNIVBCYIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)14-10-6-5-7-11-15(4)12-8-9-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine?
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 62418711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).