N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine

C15H30N2 — CID 103069808

IUPACN-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(CCCC)C1CC1
InChIInChI=1S/C15H30N2/c1-6-7-10-17(14-8-9-14)12-13(2)11-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3
InChIKeyATWFPKPZUBHOFM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds8

About N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine

N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069808) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
PubChem CID103069808
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(CCCC)C1CC1
InChIInChI=1S/C15H30N2/c1-6-7-10-17(14-8-9-14)12-13(2)11-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3
InChIKeyATWFPKPZUBHOFM-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073276
N-cyclopropyl-N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 103069258
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62258163
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine (CID 103069808) is N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine is C=C(CNC(C)(C)C)CN(CCCC)C1CC1.
What is the InChIKey of N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine?
The InChIKey is ATWFPKPZUBHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-7-10-17(14-8-9-14)12-13(2)11-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine?
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).