N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

C16H34N2 — CID 80997887

IUPACN,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCCCCN(CCCC)C1CCC1CNC(C)C
InChIInChI=1S/C16H34N2/c1-5-7-11-18(12-8-6-2)16-10-9-15(16)13-17-14(3)4/h14-17H,5-13H2,1-4H3
InChIKeyMSHWLOSVAJZCQT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds10

About N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (PubChem CID 80997887) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
PubChem CID80997887
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCCCCN(CCCC)C1CCC1CNC(C)C
InChIInChI=1S/C16H34N2/c1-5-7-11-18(12-8-6-2)16-10-9-15(16)13-17-14(3)4/h14-17H,5-13H2,1-4H3
InChIKeyMSHWLOSVAJZCQT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999221
N-methyl-N-[2-[(propan-2-ylamino)methyl]cyclobutyl]cyclopentanamine
CID 80999304
N-methyl-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999324
N,N-dipropyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80999442
N-(2-methylpropyl)-N-[2-[(propan-2-ylamino)methyl]cyclobutyl]cyclopentanamine
CID 81004811
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
CID 114011270
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (CID 80997887) is N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is CCCCN(CCCC)C1CCC1CNC(C)C.
What is the InChIKey of N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The InChIKey is MSHWLOSVAJZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-11-18(12-8-6-2)16-10-9-15(16)13-17-14(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).