N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane

C18H39N — CID 156794646

IUPACN-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
SMILESCC(C)C.CCCC1CCC(N(C)CC(C)C)CC1
InChIInChI=1S/C14H29N.C4H10/c1-5-6-13-7-9-14(10-8-13)15(4)11-12(2)3;1-4(2)3/h12-14H,5-11H2,1-4H3;4H,1-3H3
InChIKeyBSOMNBNFFSZMBT-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.60
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane

N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane (PubChem CID 156794646) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
PubChem CID156794646
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
SMILESCC(C)C.CCCC1CCC(N(C)CC(C)C)CC1
InChIInChI=1S/C14H29N.C4H10/c1-5-6-13-7-9-14(10-8-13)15(4)11-12(2)3;1-4(2)3/h12-14H,5-11H2,1-4H3;4H,1-3H3
InChIKeyBSOMNBNFFSZMBT-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
CID 156794556
ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine
CID 169214887
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
ethane;propane;propylcyclopropane
CID 145406182
N-methyl-N,3-bis(2-methylpropyl)cyclobutan-1-amine
CID 158562810
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane?
The IUPAC name of N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane (CID 156794646) is N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane is CC(C)C.CCCC1CCC(N(C)CC(C)C)CC1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane?
The InChIKey is BSOMNBNFFSZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C4H10/c1-5-6-13-7-9-14(10-8-13)15(4)11-12(2)3;1-4(2)3/h12-14H,5-11H2,1-4H3;4H,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane?
N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane has a molecular weight of 269.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane is sourced from PubChem (CID 156794646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).