2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine

C16H34N2 — CID 114011270

IUPAC2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H34N2/c1-13(2)8-10-18(11-9-14(3)4)16-7-6-15(16)12-17-5/h13-17H,6-12H2,1-5H3
InChIKeyZBVLYXCETCDJRM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds9

About 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine

2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine (PubChem CID 114011270) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
PubChem CID114011270
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H34N2/c1-13(2)8-10-18(11-9-14(3)4)16-7-6-15(16)12-17-5/h13-17H,6-12H2,1-5H3
InChIKeyZBVLYXCETCDJRM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80997727
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 112665966
N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80997887
N-ethyl-2-(methylaminomethyl)-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 80997690
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376
N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
CID 81004984
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
N,N-dipropyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80999442

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine?
The IUPAC name of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine (CID 114011270) is 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine?
The canonical SMILES for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine is CNCC1CCC1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine?
The InChIKey is ZBVLYXCETCDJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)8-10-18(11-9-14(3)4)16-7-6-15(16)12-17-5/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine?
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 114011270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).