N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide

C16H29N5O — CID 21295443

IUPACN-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide
SMILESCN(C(=O)CCCCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C16H29N5O/c1-20(14-10-6-5-7-11-14)16(22)13-9-4-3-8-12-15-17-18-19-21(15)2/h14H,3-13H2,1-2H3
InChIKeyJTNUXXKHPJKBPB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.49
Rot. Bonds8

About N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide

N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide (PubChem CID 21295443) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide
PubChem CID21295443
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide
SMILESCN(C(=O)CCCCCCc1nnnn1C)C1CCCCC1
InChIInChI=1S/C16H29N5O/c1-20(14-10-6-5-7-11-14)16(22)13-9-4-3-8-12-15-17-18-19-21(15)2/h14H,3-13H2,1-2H3
InChIKeyJTNUXXKHPJKBPB-UHFFFAOYSA-N
XLogP2.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide?
The IUPAC name of N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide (CID 21295443) is N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide is CN(C(=O)CCCCCCc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide?
The InChIKey is JTNUXXKHPJKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-20(14-10-6-5-7-11-14)16(22)13-9-4-3-8-12-15-17-18-19-21(15)2/h14H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide?
N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide has a molecular weight of 307.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide is sourced from PubChem (CID 21295443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).