bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)

C32H66N2 — CID 167643332

IUPACbis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
SMILESCC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)N(C)CC1CC1.CC(C)N(C)CC1CC1
InChIInChI=1S/2C8H17N.2C8H16/c2*1-7(2)9(3)6-8-4-5-8;2*1-7(2)3-4-8-5-6-8/h2*7-8H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3
InChIKeyPMGXQQWXBBKKNR-UHFFFAOYSA-N
MW478.89 g/mol
LogP9.14
Rot. Bonds12

About bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)

bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane) (PubChem CID 167643332) has the molecular formula C32H66N2 and a molecular weight of 478.89 g/mol. Its IUPAC name is bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane).

Molecular Properties

Compound Namebis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
PubChem CID167643332
Molecular FormulaC32H66N2
Molecular Weight478.89 g/mol
Exact Mass478.52
IUPAC Namebis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
SMILESCC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)N(C)CC1CC1.CC(C)N(C)CC1CC1
InChIInChI=1S/2C8H17N.2C8H16/c2*1-7(2)9(3)6-8-4-5-8;2*1-7(2)3-4-8-5-6-8/h2*7-8H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3
InChIKeyPMGXQQWXBBKKNR-UHFFFAOYSA-N
XLogP9.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
CID 170952528
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 176612367
4-[[methyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 115240058
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
CID 58519664
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
2-methyl-1-[4-(3-methylbutyl)cyclohexyl]propan-1-one
CID 158556884

Frequently Asked Questions

What is the IUPAC name of bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)?
The IUPAC name of bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane) (CID 167643332) is bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane).
What is the SMILES notation for bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)?
The canonical SMILES for bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane) is CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)N(C)CC1CC1.CC(C)N(C)CC1CC1.
What is the InChIKey of bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)?
The InChIKey is PMGXQQWXBBKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.2C8H16/c2*1-7(2)9(3)6-8-4-5-8;2*1-7(2)3-4-8-5-6-8/h2*7-8H,4-6H2,1-3H3;2*7-8H,3-6H2,1-2H3.
What are the key properties of bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)?
bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane) has a molecular weight of 478.89 g/mol, XLogP of 9.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane) is sourced from PubChem (CID 167643332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).