N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine

C17H36N2 — CID 63483998

IUPACN-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCN(CC1(CNC(C)C)CCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-6-12-19(16(4)5)14-17(13-18-15(2)3)10-8-7-9-11-17/h15-16,18H,6-14H2,1-5H3
InChIKeyOHEZRGVAKHXNIQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds8

About N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine

N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63483998) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63483998
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCN(CC1(CNC(C)C)CCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-6-12-19(16(4)5)14-17(13-18-15(2)3)10-8-7-9-11-17/h15-16,18H,6-14H2,1-5H3
InChIKeyOHEZRGVAKHXNIQ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine (CID 63483998) is N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine is CCCN(CC1(CNC(C)C)CCCCC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is OHEZRGVAKHXNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-12-19(16(4)5)14-17(13-18-15(2)3)10-8-7-9-11-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine?
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63483998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).